CID 300382

2-(2,4,6-trimethylphenyl)acetaldehyde

Structural Information

Molecular Formula
C11H14O
SMILES
CC1=CC(=C(C(=C1)C)CC=O)C
InChI
InChI=1S/C11H14O/c1-8-6-9(2)11(4-5-12)10(3)7-8/h5-7H,4H2,1-3H3
InChIKey
HXMXUWHNVNPJRR-UHFFFAOYSA-N
Compound name
2-(2,4,6-trimethylphenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

162.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 132.2
[M+Na]+ 185.093678 142.0
[M-H]- 161.097184 136.7
[M+NH4]+ 180.138283 154.0
[M+K]+ 201.067618 139.7
[M+H-H2O]+ 145.101720 127.2
[M+HCOO]- 207.102661 156.6
[M+CH3COO]- 221.118311 182.0
[M+Na-2H]- 183.079126 137.6
[M]+ 162.10391142 134.8
[M]- 162.10500858 134.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe